Spirangien K
| Internal ID | 15a4d669-2585-4eae-acf8-9d489f58314a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | (3S,4E,6E,8E,10E,12Z,14S,15S,16S)-15-hydroxy-16-[(2R,3R,4R,6R,8S,9S,11S)-11-hydroxy-2-[(E,2R,3S,4S)-3-hydroxy-4,6-dimethyloct-6-en-2-yl]-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid |
| SMILES (Canonical) | CC=C(C)CC(C)C(C(C)C1C(C(CC2(O1)C(CC(C(O2)C(C)C(C(C)C=CC=CC=CC=CC=CC(CC(=O)O)OC)O)C)O)OC)C)O |
| SMILES (Isomeric) | C/C=C(\C)/C[C@H](C)[C@@H]([C@@H](C)[C@@H]1[C@@H]([C@@H](C[C@@]2(O1)[C@H](C[C@@H]([C@H](O2)[C@@H](C)[C@H]([C@@H](C)/C=C\C=C\C=C\C=C\C=C\[C@H](CC(=O)O)OC)O)C)O)OC)C)O |
| InChI | InChI=1S/C41H66O9/c1-11-26(2)22-28(4)38(46)32(8)40-30(6)34(48-10)25-41(50-40)35(42)23-29(5)39(49-41)31(7)37(45)27(3)20-18-16-14-12-13-15-17-19-21-33(47-9)24-36(43)44/h11-21,27-35,37-40,42,45-46H,22-25H2,1-10H3,(H,43,44)/b13-12+,16-14+,17-15+,20-18-,21-19+,26-11+/t27-,28-,29-,30+,31-,32+,33+,34+,35-,37-,38-,39-,40-,41+/m0/s1 |
| InChI Key | AFMLAWKHRYYCHM-OHWFJCAKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C41H66O9 |
| Molecular Weight | 703.00 g/mol |
| Exact Mass | 702.47068368 g/mol |
| Topological Polar Surface Area (TPSA) | 135.00 Ų |
| XlogP | 7.40 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.00% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.65% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.54% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.69% | 98.95% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 94.26% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.84% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.74% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.49% | 97.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.25% | 95.89% |
| CHEMBL3776 | Q14790 | Caspase-8 | 86.96% | 97.06% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.04% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.16% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.86% | 90.17% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 83.48% | 95.71% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.16% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.91% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.71% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.08% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.31% | 91.07% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.70% | 97.25% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 122385287 |
| LOTUS | LTS0192922 |
| wikiData | Q77500829 |